Cas no 101664-59-9 (2-Chloro-3,4-dimethoxypyridine)

2-Chloro-3,4-dimethoxypyridine is a versatile heterocyclic compound featuring a chloro substituent at the 2-position and methoxy groups at the 3- and 4-positions of the pyridine ring. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-donating methoxy groups enhance the ring's nucleophilicity, while the chloro group provides a handle for cross-coupling reactions or nucleophilic displacement. Its stability under standard conditions and compatibility with diverse reaction conditions make it a practical choice for constructing complex molecules. The compound is typically supplied with high purity, ensuring consistent performance in synthetic applications.
2-Chloro-3,4-dimethoxypyridine structure
101664-59-9 structure
Product Name:2-Chloro-3,4-dimethoxypyridine
CAS No:101664-59-9
MF:C7H8ClNO2
MW:173.596920967102
CID:124716
PubChem ID:13873112
Update Time:2025-06-10

2-Chloro-3,4-dimethoxypyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-3,4-dimethoxypyridine hydrochloride
    • 2-Chloro-3,4-dimethoxypyridine
    • Pyridine,2-chloro-3,4-dimethoxy-
    • 2-Chlor-3,4-dimethoxypyridin
    • 2-Chloro-3,4-dimethoxypyridine HCl
    • SCHEMBL1445758
    • 2-Chloro-3,4-dimethoxypyridine, AldrichCPR
    • 101664-59-9
    • CS-0146029
    • AKOS005257777
    • USSXRSGDCHLUDK-UHFFFAOYSA-N
    • MFCD03265283
    • Pyridine, 2-chloro-3,4-dimethoxy-
    • G78595
    • 2-Chloro-3,4-dimethoxy-pyridine
    • BBL102731
    • STL556537
    • MDL: MFCD03265283
    • Inchi: 1S/C7H8ClNO2/c1-10-5-3-4-9-7(8)6(5)11-2/h3-4H,1-2H3
    • InChI Key: USSXRSGDCHLUDK-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=CN=1)OC)OC

Computed Properties

  • Exact Mass: 173.02400
  • Monoisotopic Mass: 173.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 31.4?2

Experimental Properties

  • Melting Point: 37-42℃
  • PSA: 31.35000
  • LogP: 1.75220

2-Chloro-3,4-dimethoxypyridine Security Information

  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T
  • HazardClass:IRRITANT

2-Chloro-3,4-dimethoxypyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-Chloro-3,4-dimethoxypyridine Production Method

Additional information on 2-Chloro-3,4-dimethoxypyridine

Comprehensive Overview of 2-Chloro-3,4-dimethoxypyridine (CAS No. 101664-59-9): Properties, Applications, and Industry Insights

2-Chloro-3,4-dimethoxypyridine (CAS No. 101664-59-9) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This chlorinated dimethoxypyridine derivative serves as a versatile building block in organic synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and fine chemicals. With the growing demand for pyridine-based intermediates in drug discovery, this compound has become a subject of interest for researchers exploring novel synthetic pathways.

The molecular structure of 2-Chloro-3,4-dimethoxypyridine combines the electron-rich nature of dimethoxy substituents with the reactivity of a chloro group at the 2-position, making it particularly valuable for nucleophilic substitution reactions. Recent studies highlight its application in creating biologically active molecules, with particular relevance to central nervous system (CNS) therapeutics and antimicrobial agents. The compound's CAS registry number 101664-59-9 serves as a unique identifier in global chemical databases, facilitating its traceability in supply chains and research documentation.

In the context of current industry trends, 2-Chloro-3,4-dimethoxypyridine aligns with several green chemistry initiatives. Researchers are investigating its use in catalyzed cross-coupling reactions that minimize waste generation, responding to the pharmaceutical industry's push toward more sustainable synthetic methodologies. The compound's stability under various conditions makes it suitable for flow chemistry applications, a technology gaining traction in continuous manufacturing processes.

Analytical characterization of CAS 101664-59-9 typically involves advanced techniques such as HPLC-MS and NMR spectroscopy, with particular attention to purity assessment given its pharmaceutical applications. The dimethoxypyridine scaffold exhibits characteristic spectroscopic signatures that aid in structural confirmation, while modern quality control protocols ensure batch-to-batch consistency for industrial-scale production.

The commercial availability of 2-Chloro-3,4-dimethoxypyridine has expanded in recent years, with suppliers offering various packaging configurations to meet diverse research needs. Storage recommendations typically emphasize protection from moisture and light, with stability data supporting long-term viability under proper conditions. This accessibility has facilitated its adoption across academic and industrial laboratories working on medicinal chemistry projects and material science innovations.

From a regulatory perspective, 101664-59-9 falls under standard chemical handling guidelines, with safety data sheets providing comprehensive information about proper laboratory practices. The compound's physicochemical properties, including solubility profiles and melting point characteristics, have been well-documented to assist researchers in experimental design. These parameters are particularly crucial when developing formulation strategies for potential drug candidates derived from this intermediate.

Emerging applications of 2-Chloro-3,4-dimethoxypyridine extend beyond traditional pharmaceutical uses. Recent patent literature reveals investigations into its potential as a ligand precursor in catalytic systems and as a component in electronic materials. The compound's electron-donating methoxy groups and the electron-withdrawing chlorine atom create an interesting electronic profile that materials scientists are exploring for specialized applications in organic electronics.

Synthetic methodologies for producing CAS 101664-59-9 continue to evolve, with recent publications describing improved selective chlorination techniques that enhance yield and purity. These advancements address common challenges associated with regioselective functionalization of pyridine derivatives, contributing to more efficient manufacturing processes. The development of scalable synthetic routes remains an active area of research, particularly for cost-sensitive applications.

In the broader context of chemical innovation, 2-Chloro-3,4-dimethoxypyridine represents an important example of how functionalized heterocycles enable molecular diversity in drug discovery. Its structural features allow for diverse derivatization possibilities, making it a valuable tool for medicinal chemists pursuing structure-activity relationship studies. The compound's relevance persists as researchers seek to address unmet medical needs through novel small molecule therapeutics.

The future outlook for 101664-59-9 appears promising, with ongoing research exploring its incorporation into targeted drug delivery systems and diagnostic agents. As computational chemistry tools become more sophisticated, predictive models are being developed to better understand the compound's molecular interactions and potential biological activities. This integration of experimental and theoretical approaches exemplifies modern drug discovery paradigms that leverage specialized building blocks like 2-Chloro-3,4-dimethoxypyridine.

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